2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid

C8H8O6 — CID 54675953

IUPAC2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid
SMILESO=C(O)C1=C(O)CC(C(=O)O)=C(O)C1
InChIInChI=1S/C8H8O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h9-10H,1-2H2,(H,11,12)(H,13,14)
InChIKeyXJJWQKGKHQTROG-UHFFFAOYSA-N
MW200.15 g/mol
LogP0.57
Rot. Bonds2

About 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid

2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid (PubChem CID 54675953) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid
PubChem CID54675953
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Name2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid
SMILESO=C(O)C1=C(O)CC(C(=O)O)=C(O)C1
InChIInChI=1S/C8H8O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h9-10H,1-2H2,(H,11,12)(H,13,14)
InChIKeyXJJWQKGKHQTROG-UHFFFAOYSA-N
XLogP0.57
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid?
The IUPAC name of 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid (CID 54675953) is 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid.
What is the SMILES notation for 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid?
The canonical SMILES for 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid is O=C(O)C1=C(O)CC(C(=O)O)=C(O)C1.
What is the InChIKey of 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid?
The InChIKey is XJJWQKGKHQTROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h9-10H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid?
2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid has a molecular weight of 200.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylic acid is sourced from PubChem (CID 54675953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).